Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 3/20 | 0.34 |
| ▸ | MMP13 | P45452 | 3/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 7/20 | 0.33 |
| ▸ | CTSL | P07711 | 2/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9613199 | 0.96 | KDM4E (0.38) | KDM4ECA2PTGS1MMP12HTT | |
| SCHEMBL14271616 | 0.83 | CYP3A4 (0.34) | HTTCTSLPOLB | |
| SCHEMBL14271660 | 0.79 | HTT (0.33) | KDM4ECA2PTGS1MMP12HTT | |
| SCHEMBL14271617 | 0.78 | CYP3A4 (0.38) | HTTCTSLCTSBCTSSPOLB | |
| SCHEMBL9613093 | 0.77 | FFAR3 (0.40) | HTT | |
| SCHEMBL9613266 | 0.76 | KDM4E (0.41) | KDM4EHTT | |
| SCHEMBL9613243 | 0.74 | MAPT (0.50) | HTT | |
| SCHEMBL1573844 | 0.73 | FFAR3 (0.40) | HTT | |
| SCHEMBL22605598 | 0.73 | CYP3A4 (0.33) | HTT | |
| SCHEMBL2847319 | 0.71 | KDM4E (0.41) | KDM4EHTT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1727797-B1 | PROCESS FOR CROSS COUPLING INDOLES | BOEHRINGER INGELHEIM PHARMA (US) | 2012-05-30 | — | — | EP | disclosed |